BDBM50514779 CHEMBL4472037

SMILES: [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2-c3ccc(cc3S(=O)(=O)c2c1)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC

InChI Key: InChIKey=WPYDPKBUDYKIHW-PCBSYPELSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50514779   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514779 (CHEMBL4472037) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2-c3ccc(cc3S(=O)(=O)c2c1)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C46H56N8O10S/c1-23(61-3)39(51-45(57)63-5)43(55)53-33-11-7-9-27(33)17-35(53)41-47-21-31(49-41)25-13-15-29-30-16-14-26(20-38(30)65(59,60)37(29)19-25)32-22-48-42(50-32)36-18-28-10-8-12-34(28)54(36)44(56)40(24(2)62-4)52-46(58)64-6/h13-16,19-24,27-28,33-36,39-40H,7-12,17-18H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t23-,24-,27+,28+,33+,34+,35+,36+,39+,40+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	81	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514779 (CHEMBL4472037) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2-c3ccc(cc3S(=O)(=O)c2c1)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C46H56N8O10S/c1-23(61-3)39(51-45(57)63-5)43(55)53-33-11-7-9-27(33)17-35(53)41-47-21-31(49-41)25-13-15-29-30-16-14-26(20-38(30)65(59,60)37(29)19-25)32-22-48-42(50-32)36-18-28-10-8-12-34(28)54(36)44(56)40(24(2)62-4)52-46(58)64-6/h13-16,19-24,27-28,33-36,39-40H,7-12,17-18H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t23-,24-,27+,28+,33+,34+,35+,36+,39+,40+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176
					More data for this Ligand-Target Pair